UCSF

ZINC23067554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 6.19 -41.19 3 4 1 49 277.388 4
Mid Mid (pH 6-8) 1.25 6.47 -145.29 4 4 2 51 278.396 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )